11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine

C16H15N3 — CID 81462631

IUPAC11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine
SMILESNCc1ccc2nc3c(n2c1)CCc1ccccc1-3
InChIInChI=1S/C16H15N3/c17-9-11-5-8-15-18-16-13-4-2-1-3-12(13)6-7-14(16)19(15)10-11/h1-5,8,10H,6-7,9,17H2
InChIKeyVUEQZIGUOLUXAX-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.56
Rot. Bonds1

About 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine

11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine (PubChem CID 81462631) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine.

Molecular Properties

Compound Name11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine
PubChem CID81462631
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine
SMILESNCc1ccc2nc3c(n2c1)CCc1ccccc1-3
InChIInChI=1S/C16H15N3/c17-9-11-5-8-15-18-16-13-4-2-1-3-12(13)6-7-14(16)19(15)10-11/h1-5,8,10H,6-7,9,17H2
InChIKeyVUEQZIGUOLUXAX-UHFFFAOYSA-N
XLogP2.56
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine?
The IUPAC name of 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine (CID 81462631) is 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine.
What is the SMILES notation for 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine?
The canonical SMILES for 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine is NCc1ccc2nc3c(n2c1)CCc1ccccc1-3.
What is the InChIKey of 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine?
The InChIKey is VUEQZIGUOLUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-9-11-5-8-15-18-16-13-4-2-1-3-12(13)6-7-14(16)19(15)10-11/h1-5,8,10H,6-7,9,17H2.
What are the key properties of 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine?
11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine has a molecular weight of 249.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-13-ylmethanamine is sourced from PubChem (CID 81462631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).